SCHEMBL10304243

SCHEMBL10304243

CCCCC[C@@H](C)CCO

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.54
OPRM1 P35372 1/20 0.52
LMNA P02545 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TP53 P04637 1/20 0.46
PRKD3 O94806 1/20 0.46
PRKCG P05129 1/20 0.46
PRKCB P05771 1/20 0.46
PRKCA P17252 1/20 0.46
PRKCH P24723 1/20 0.46
PRKCI P41743 1/20 0.46
PRKCE Q02156 1/20 0.46
PRKCQ Q04759 1/20 0.46
PRKCZ Q05513 1/20 0.46
PRKCD Q05655 1/20 0.46
PRKD1 Q15139 1/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9834068 1.00 ACE2 (0.54) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL26496 1.00 ACE2 (0.54) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL3367737 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL3367475 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL7209007 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL22986838 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL236012 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL20055710 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL1556084 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53
SCHEMBL1658183 0.97 ACE2 (0.57) ACE2OPRM1LMNASMN1; SMN2TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-05 US disclosed
EP-1606267-B1 PYRAZINE COMPOUNDS AS TRANSFORMING GROWTH FACTOR (TGF) INHIBITORS PFIZER PROD INC (US) 2008-07-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120171245-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION ACE, IRF3, ACE2 ACE2 3/4885OPRM1 4210/4885LMNA 2043/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.